2-(benzimidazol-1-yl)-6-fluorobenzenecarboximidamide;hydrochloride

C14H12ClFN4 — CID 82253500

IUPAC2-(benzimidazol-1-yl)-6-fluorobenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1c(F)cccc1-n1cnc2ccccc21
InChIInChI=1S/C14H11FN4.ClH/c15-9-4-3-7-12(13(9)14(16)17)19-8-18-10-5-1-2-6-11(10)19;/h1-8H,(H3,16,17);1H
InChIKeyOAUMPHMABZAXQP-UHFFFAOYSA-N
MW290.73 g/mol
LogP2.87
Rot. Bonds2

About 2-(benzimidazol-1-yl)-6-fluorobenzenecarboximidamide;hydrochloride

2-(benzimidazol-1-yl)-6-fluorobenzenecarboximidamide;hydrochloride (PubChem CID 82253500) has the molecular formula C14H12ClFN4 and a molecular weight of 290.73 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-6-fluorobenzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-6-fluorobenzenecarboximidamide;hydrochloride
PubChem CID82253500
Molecular FormulaC14H12ClFN4
Molecular Weight290.73 g/mol
Exact Mass290.07
IUPAC Name2-(benzimidazol-1-yl)-6-fluorobenzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1c(F)cccc1-n1cnc2ccccc21
InChIInChI=1S/C14H11FN4.ClH/c15-9-4-3-7-12(13(9)14(16)17)19-8-18-10-5-1-2-6-11(10)19;/h1-8H,(H3,16,17);1H
InChIKeyOAUMPHMABZAXQP-UHFFFAOYSA-N
XLogP2.87
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(benzimidazol-1-yl)-6-fluorobenzoic acid
CID 79512434
[2-(benzimidazol-1-yl)-6-fluorophenyl]methanamine
CID 79516380
2-(benzimidazol-1-yl)-3-methylbenzenecarboximidamide
CID 107110473
2-(benzimidazol-1-yl)-6-bromo-N'-hydroxybenzenecarboximidamide
CID 114883369
4-(benzimidazol-1-yl)pyrimidine-5-carboximidamide
CID 112755822
2-fluoro-6-pyrrolidin-1-ylbenzenecarboximidamide
CID 79015592
[2-(benzimidazol-1-yl)phenyl]methanamine;hydrochloride
CID 75529767
4-fluoro-2-methylindazole-3-carboximidamide
CID 84719847
1-(2,3-dichlorophenyl)benzimidazole
CID 42636654
3-(benzimidazol-1-ylmethyl)benzenecarboximidamide;trihydrochloride
CID 47002397
2-fluoro-6-[4-(2-hydroxyethyl)piperazin-1-yl]benzenecarboximidamide;hydrochloride
CID 82253606
3-(benzimidazol-1-yl)naphthalen-2-ol
CID 57307843

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-6-fluorobenzenecarboximidamide;hydrochloride?
The IUPAC name of 2-(benzimidazol-1-yl)-6-fluorobenzenecarboximidamide;hydrochloride (CID 82253500) is 2-(benzimidazol-1-yl)-6-fluorobenzenecarboximidamide;hydrochloride.
What is the SMILES notation for 2-(benzimidazol-1-yl)-6-fluorobenzenecarboximidamide;hydrochloride?
The canonical SMILES for 2-(benzimidazol-1-yl)-6-fluorobenzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1c(F)cccc1-n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-6-fluorobenzenecarboximidamide;hydrochloride?
The InChIKey is OAUMPHMABZAXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4.ClH/c15-9-4-3-7-12(13(9)14(16)17)19-8-18-10-5-1-2-6-11(10)19;/h1-8H,(H3,16,17);1H.
What are the key properties of 2-(benzimidazol-1-yl)-6-fluorobenzenecarboximidamide;hydrochloride?
2-(benzimidazol-1-yl)-6-fluorobenzenecarboximidamide;hydrochloride has a molecular weight of 290.73 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-6-fluorobenzenecarboximidamide;hydrochloride is sourced from PubChem (CID 82253500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).